| SpectraBase Spectrum ID |
JyDrphyR2Gu |
| Name |
(1R,6S,7R)-2-Oxo-1,4,4-trimethylbicyclo[4.2.0]octane-7-(exo)-carbonitrile |
| Alternate Name(s) |
(1R,6S,7R)-1,4,4-trimethyl-2-oxobicyclo[4.2.0]octane-7-carbonitrile
5-Oxo-1,4,4-trimethylbicyclo[4.2.0]octane-7-(exo)-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17NO |
| InChI |
InChI=1S/C12H17NO/c1-11(2)5-9-8(7-13)4-12(9,3)10(14)6-11/h8-9H,4-6H2,1-3H3/t8-,9-,12+/m0/s1 |
| InChIKey |
DHYZGWZZOIDXLL-HOTUBEGUSA-N |
| Molecular Weight |
191.274 g/mol |
| SMILES |
[C@]12([C@]([C@](C#N)(C2)[H])(CC(C)(C)CC1=O)[H])C |
| SPLASH |
splash10-001i-9100000000-b1e0c324881519e0ff3a |
| Source of Spectrum |
I-81-420-7 |
| Wiley ID |
1517394 |
![1-ALPHA,6-ALPHA-1,4,4-TRIMETHYL-2-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE](/api/spectrum/JyDrphyR2Gu/structure.png?h=300&w=458 "1-ALPHA,6-ALPHA-1,4,4-TRIMETHYL-2-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE")
